AG008XQJ

1093087-06-9 | Methyl 3-amino-5-fluoro-4-methylbenzoate

AG008XQJ

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CAS Number	1093087-06-9
Catalog Number	AG008XQJ(AGN-PC-0WD6AU)
Chemical Name	Methyl 3-amino-5-fluoro-4-methylbenzoate
IUPAC Name	methyl 3-amino-5-fluoro-4-methylbenzoate
InChI	InChI=1S/C9H10FNO2/c1-5-7(10)3-6(4-8(5)11)9(12)13-2/h3-4H,11H2,1-2H3
InChI Key	RJOUOVXYOQFISW-UHFFFAOYSA-N
MDL Number	MFCD14694719
Molecular Formula	C9H10FNO2
Molecular Weight	183.1796
SMILES	O=C(OC)C1=CC(F)=C(C)C(N)=C1
Synonyms	methyl 3-amino-5-fluoro-4-methylbenzoate, 1093087-06-9, 3-Amino-5-fluoro-4-methyl-benzoic acid methyl ester, SCHEMBL448918, AC1Q430R, RJOUOVXYOQFISW-UHFFFAOYSA-N, MFCD14694719, ZINC47843765, AKOS010564354, CM12411, MCULE-2057009747, 3-Amino-5-fluoro-4-methyl methylbenzoate, AS-33108, AJ-110866, Z1760, EN300-60390, W-1392, C9H10FNO2, methyl 3-amino-5-fluoro-4-methyl-benzoate,

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	183.07g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	183.182g/mol
Monoisotopic Mass	183.07g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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